Optimal design of nanoplasmonic materials using genetic algorithms as a multi-parameter optimization tool

An optimal control approach based on multiple parameter genetic algorithms is applied to the design of plasmonic nanoconstructs with pre-determined optical properties and functionalities. We first develop nanoscale metallic lenses that focus an incident plane wave onto a pre-specified, spatially confined spot. Our results illustrate the role of symmetry breaking and unravel the principles that favor dimeric constructs for optimal light localization. Next we design a periodic array of silver particles to modify the polarization of an incident, linearly-polarized plane wave in a desired fashion while localizing the light in space. The results provide insight into the structural features that determine the birefringence properties of metal nanoparticles and their arrays. Of the variety of potential applications that may be envisioned, we note the design of nanoscale light sources with controllable coherence and polarization properties that could serve for coherent control of molecular or electronic dynamics in the nanoscale.Comment: 13 pages, 6 figures. submitted to J. Chem. Phy

Topotecan-vincristine-doxorubicin in stage 4 high risk neuroblastoma patients failing to achieve a complete metastatic response to rapid COJEC : a SIOPEN study

Purpose : Metastatic response to induction therapy for high-risk neuroblastoma is a prognostic factor. In the International Society of Paediatric Oncology Europe Neuroblastoma (SIOPEN) HR-NBL-1 protocol, only patients with metastatic complete response (CR) or partial response (PR) with <= three abnormal skeletal areas on iodine 123-metaiodobenzylguanidine ([I-123] mIBG) scintigraphy and no bone marrow disease proceed to high dose therapy (HDT). In this study, topotecan-vincristine-doxorubicin (TVD) was evaluated in patients failing to achieve these criteria, with the aim of improving the metastatic response rate. Materials and Methods : Patients with metastatic high-risk neuroblastoma who had not achieved the SIOPEN criteria for HDT after induction received two courses of topotecan 1.5 mg/m(2)/day for 5 days, followed by a 48-hour infusion of vincristine, 2 mg/m(2), and doxorubicin, 45 mg/m(2). Results : Sixty-three patients were eligible and evaluable. Following two courses of TVD, four (6.4%) patients had an overall CR, while 28 (44.4%) had a PR with a combined response rate of 50.8% (95% confidence interval [CI], 37.9 to 63.6). Of these, 23 patients achieved a metastatic CR or a PR with <= 3 mIBG skeletal areas and no bone marrow disease (36.5%; 95% CI, 24.7 to 49.6) and were eligible to receive HDT. Toxicity was mostly haematological, affecting 106 of the 126 courses (84.1%; 95% CI, 76.5 to 90.0), and dose reduction was necessary in six patients. Stomatitis was the second most common nonhematological toxicity, occurring in 20 patients (31.7%). Conclusion : TVD was effective in improving the response rate of high-risk neuroblastoma patients after induction with COJEC enabling them to proceed to HDT. However, the long-term benefits of TVD needs to be determined in randomized clinical trials

Stochastic optimization of a cold atom experiment using a genetic algorithm

We employ an evolutionary algorithm to automatically optimize different stages of a cold atom experiment without human intervention. This approach closes the loop between computer based experimental control systems and automatic real time analysis and can be applied to a wide range of experimental situations. The genetic algorithm quickly and reliably converges to the most performing parameter set independent of the starting population. Especially in many-dimensional or connected parameter spaces the automatic optimization outperforms a manual search.Comment: 4 pages, 3 figure

Far-infrared absorption in parallel quantum wires with weak tunneling

We study collective and single-particle intersubband excitations in a system of quantum wires coupled via weak tunneling. For an isolated wire with parabolic confinement, the Kohn's theorem guarantees that the absorption spectrum represents a single sharp peak centered at the frequency given by the bare confining potential. We show that the effect of weak tunneling between two parabolic quantum wires is twofold: (i) additional peaks corresponding to single-particle excitations appear in the absorption spectrum, and (ii) the main absorption peak acquires a depolarization shift. We also show that the interplay between tunneling and weak perpendicular magnetic field drastically enhances the dispersion of single-particle excitations. The latter leads to a strong damping of the intersubband plasmon for magnetic fields exceeding a critical value.Comment: 18 pages + 6 postcript figure

Transformations of public spaces - sustainable and ethical approach to architectural and urban design using mixed cultural background

Transformations of public spaces are an integral part of city life. These processes although addressing site specific problems are universal for the urban centres across European countries struggling with desurbanisation, social exclusion, massive tourism, climate change and pollution

Optimizing Jastrow factors for the transcorrelated method

We investigate the optimization of flexible tailored real-space Jastrow factors for use in the transcorrelated (TC) method in combination with highly accurate quantum chemistry methods, such as initiator full configuration interaction quantum Monte Carlo (FCIQMC). Jastrow factors obtained by minimizing the variance of the TC reference energy are found to yield better, more consistent results than those obtained by minimizing the variational energy. We compute all-electron atomization energies for the challenging first-row molecules C2, CN, N2, and O2 and find that the TC method yields chemically accurate results using only the cc-pVTZ basis set, roughly matching the accuracy of non-TC calculations with the much larger cc-pV5Z basis set. We also investigate an approximation in which pure three-body excitations are neglected from the TC-FCIQMC dynamics, saving storage and computational costs, and show that it affects relative energies negligibly. Our results demonstrate that the combination of tailored real-space Jastrow factors with the multi-configurational TC-FCIQMC method provides a route to obtaining chemical accuracy using modest basis sets, obviating the need for basis-set extrapolation and composite techniques

Boosted three-dimensional black-hole evolutions with singularity excision

Binary black hole interactions provide potentially the strongest source of gravitational radiation for detectors currently under development. We present some results from the Binary Black Hole Grand Challenge Alliance three- dimensional Cauchy evolution module. These constitute essential steps towards modeling such interactions and predicting gravitational radiation waveforms. We report on single black hole evolutions and the first successful demonstration of a black hole moving freely through a three-dimensional computational grid via a Cauchy evolution: a hole moving ~6M at 0.1c during a total evolution of duration ~60M

Empowerment or Engagement? Digital Health Technologies for Mental Healthcare

We argue that while digital health technologies (e.g. artificial intelligence, smartphones, and virtual reality) present significant opportunities for improving the delivery of healthcare, key concepts that are used to evaluate and understand their impact can obscure significant ethical issues related to patient engagement and experience. Specifically, we focus on the concept of empowerment and ask whether it is adequate for addressing some significant ethical concerns that relate to digital health technologies for mental healthcare. We frame these concerns using five key ethical principles for AI ethics (i.e. autonomy, beneficence, non-maleficence, justice, and explicability), which have their roots in the bioethical literature, in order to critically evaluate the role that digital health technologies will have in the future of digital healthcare